SCHEMBL20052083

SCHEMBL20052083

CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(S(C)(C)C)cc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MINK1 Q8N4C8 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ GCK P35557 1/20 0.32
▸ GCKR Q14397 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ DGAT1 O75907 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17172248 0.88 CYP19A1 (0.37) CYP19A1ALOX5APDGAT1
SCHEMBL17172208 0.87 CYP19A1 (0.47) CYP19A1
SCHEMBL17172234 0.87 KIF11 (0.43) CYP19A1ALOX5APDGAT1
SCHEMBL17196173 0.87 CYP19A1 (0.47) CYP19A1ALOX5APDGAT1
SCHEMBL17172249 0.87 ATM (0.41) CYP19A1DGAT1
SCHEMBL17157338 0.86 CYP19A1 (0.33) CYP19A1ALOX5APDGAT1
SCHEMBL17172250 0.86 CYP19A1 (0.46) CYP19A1KCNH2
SCHEMBL17157445 0.85 CYP19A1 (0.38) CYP19A1MAP4K4PIK3CAKCNH2MINK1
SCHEMBL17157418 0.85 NR1H2 (0.34) CYP19A1GCKGCKRALOX5AP
SCHEMBL17172235 0.85 CYP19A1 (0.47) CYP19A1MAP4K4PIK3CAKCNH2MINK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM CYP19A1 63/4885MAP4K4 2932/4885PIK3CA 4075/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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